N,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride

C8H16Cl2N2O2 — CID 88722025

IUPACN,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride
SMILESCCN(CC)C(=O)Cl.CN(C)C(=O)Cl
InChIInChI=1S/C5H10ClNO.C3H6ClNO/c1-3-7(4-2)5(6)8;1-5(2)3(4)6/h3-4H2,1-2H3;1-2H3
InChIKeySSOARRDCGRZMSU-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.59
Rot. Bonds2

About N,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride

N,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride (PubChem CID 88722025) has the molecular formula C8H16Cl2N2O2 and a molecular weight of 243.13 g/mol. Its IUPAC name is N,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride.

Molecular Properties

Compound NameN,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride
PubChem CID88722025
Molecular FormulaC8H16Cl2N2O2
Molecular Weight243.13 g/mol
Exact Mass242.06
IUPAC NameN,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride
SMILESCCN(CC)C(=O)Cl.CN(C)C(=O)Cl
InChIInChI=1S/C5H10ClNO.C3H6ClNO/c1-3-7(4-2)5(6)8;1-5(2)3(4)6/h3-4H2,1-2H3;1-2H3
InChIKeySSOARRDCGRZMSU-UHFFFAOYSA-N
XLogP2.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamoyl chloride
CID 168874337
ethyl 2-[carbonochloridoyl(ethyl)amino]acetate
CID 168874340
methyl 3-[carbonochloridoyl(ethyl)amino]propanoate
CID 20566212
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
3-(diethylcarbamoylamino)-1,1-dimethylurea
CID 54356119
N,N-dibutylcarbamoyl chloride;hydrochloride
CID 141018315
1,1,3,3-tetraethylurea;hydrofluoride
CID 175553250
N-carbonochloridoyl-N-methylcarbamoyl chloride
CID 15555334
2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide
CID 12729092
2,2-dichloro-N,N-diethylacetamide
CID 141409453
CID 21059295
CID 21059295
2-(dimethylamino)acetyl chloride
CID 7010344

Frequently Asked Questions

What is the IUPAC name of N,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride?
The IUPAC name of N,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride (CID 88722025) is N,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride.
What is the SMILES notation for N,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride?
The canonical SMILES for N,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride is CCN(CC)C(=O)Cl.CN(C)C(=O)Cl.
What is the InChIKey of N,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride?
The InChIKey is SSOARRDCGRZMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO.C3H6ClNO/c1-3-7(4-2)5(6)8;1-5(2)3(4)6/h3-4H2,1-2H3;1-2H3.
What are the key properties of N,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride?
N,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride has a molecular weight of 243.13 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylcarbamoyl chloride;N,N-dimethylcarbamoyl chloride is sourced from PubChem (CID 88722025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).